ACCESSION: MSBNK-RIKEN-PR010037
RECORD_TITLE: L-Tryptophan; GC-EI-TOF; MS; 3 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: L-Tryptophane
CH$NAME: L-Tryptophan
CH$NAME: (S)-alpha-Amino-beta-(3-indolyl)-propionic acid
CH$NAME: Tryptophan
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₁H₁₂N₂O₂
CH$EXACT_MASS: 204.08988
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N
CH$IUPAC: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
CH$LINK: CAS 73-22-3
CH$LINK: CHEBI 16828
CH$LINK: CHEMPDB TRP
CH$LINK: KEGG C00078
CH$LINK: NIKKAJI J9.181B
CH$LINK: PUBCHEM CID:6305
CH$LINK: INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N
CH$LINK: COMPTOX DTXSID5021419

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_INDEX 2216.3
AC$CHROMATOGRAPHY: RETENTION_TIME 523.416 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C20H36N2O2Si3
MS$FOCUSED_ION: DERIVATIVE_MASS 420.20846
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0fk9-9270000000-9761607cbe821f87f172
PK$NUM_PEAK: 104
PK$PEAK: m/z int. rel.int.
  60 3 3
  61 3 3
  62 1 1
  63 2 2
  66 1 1
  67 1 1
  70 4 4
  71 3 3
  72 15 15
  73 999 999
  74 89 89
  75 50 50
  76 6 6
  77 15 15
  78 2 2
  79 3 3
  83 1 1
  84 4 4
  85 1 1
  86 5 5
  87 2 2
  89 1 1
  91 1 1
  93 1 1
  100 39 39
  101 19 19
  102 10 10
  103 7 7
  104 1 1
  105 2 2
  114 1 1
  115 6 6
  116 2 2
  117 4 4
  118 1 1
  119 2 2
  128 3 3
  129 14 14
  130 26 26
  131 11 11
  132 13 13
  133 8 8
  134 3 3
  135 1 1
  142 1 1
  143 2 2
  144 3 3
  145 8 8
  146 4 4
  147 31 31
  148 5 5
  149 2 2
  156 4 4
  157 1 1
  158 3 3
  159 3 3
  160 4 4
  161 1 1
  163 1 1
  169 1 1
  170 4 4
  171 1 1
  172 4 4
  173 1 1
  174 3 3
  184 3 3
  185 1 1
  186 7 7
  187 3 3
  188 5 5
  189 1 1
  190 7 7
  191 1 1
  198 1 1
  199 4 4
  200 21 21
  201 6 6
  202 704 704
  203 144 144
  204 43 43
  205 6 6
  214 1 1
  215 2 2
  216 1 1
  218 27 27
  219 5 5
  220 2 2
  229 1 1
  230 5 5
  231 1 1
  248 1 1
  288 1 1
  290 1 1
  291 59 59
  292 17 17
  293 8 8
  294 1 1
  302 1 1
  303 4 4
  304 1 1
  377 1 1
  378 1 1
  405 2 2
  406 1 1
//